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1236162-31-4 | 1,2,4-Triazin-5(2H)-one, 3-amino-6-(aminomethyl)-, hydrochloride (1:2)
CAS No: 1236162-31-4 Catalog No: AG000KV9 MDL No:MFCD16883078
Product Description
Catalog Number:
AG000KV9
Chemical Name:
1,2,4-Triazin-5(2H)-one, 3-amino-6-(aminomethyl)-, hydrochloride (1:2)
CAS Number:
1236162-31-4
Molecular Formula:
C4H9Cl2N5O
Molecular Weight:
214.0532
MDL Number:
MFCD16883078
IUPAC Name:
3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;dihydrochloride
InChI:
InChI=1S/C4H7N5O.2ClH/c5-1-2-3(10)7-4(6)9-8-2;;/h1,5H2,(H3,6,7,9,10);2*1H
InChI Key:
SXJUKKCZXYUJKR-UHFFFAOYSA-N
SMILES:
NCc1n[nH]c(nc1=O)N.Cl.Cl
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
214.05g/mol
Monoisotopic Mass:
213.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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